For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-(isochroman-1-ylmethylamino)propanenitrile
SpectraBase Compound ID BVZZ3w7fMV9
InChI InChI=1S/C13H16N2O/c14-7-3-8-15-10-13-12-5-2-1-4-11(12)6-9-16-13/h1-2,4-5,13,15H,3,6,8-10H2
InChIKey QKGMGTWUQWSKBN-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C13H16N2O
Exact Mass 216.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3fvzhSIrdRj
Name 3-(isochroman-1-ylmethylamino)propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O
InChI InChI=1S/C13H16N2O/c14-7-3-8-15-10-13-12-5-2-1-4-11(12)6-9-16-13/h1-2,4-5,13,15H,3,6,8-10H2
InChIKey QKGMGTWUQWSKBN-UHFFFAOYSA-N
Molecular Weight 216.284 g/mol
SMILES N(CCC#N)CC1c2c(cccc2)CCO1
SPLASH splash10-001i-9700000000-66a48320a98579508978
Synonyms 3-(isochroman-1-ylmethylamino)propionitrile Propionitrile, 3-[(isochroman-1-ylmethyl)amino]- 3-(3,4-dihydro-1H-2-benzopyran-1-ylmethylamino)propanenitrile
Wiley ID 1440450